1-pyrrolidin-1-yl-2-[4-[3-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-[3-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[3-(1-tetrazolyl)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone Formula: C18H24N7O2+ MolecularWeight: 370.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C18H23N7O2/c26-17(23-6-1-2-7-23)13-22-8-10-24(11-9-22)18(27)15-4-3-5-16(12-15)25-14-19-20-21-25/h3-5,12,14H,1-2,6-11,13H2/p+1